#------------------------------------------------------------------------------
#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009503.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9009503
loop_
_publ_author_name
'Razmara, M. F.'
'Henderson, C. M. B.'
'Pattrick, R. A. D.'
'Bell, A. M. T.'
'Charnock, L. M.'
_publ_section_title
;
 The crystal chemistry of the solid solution series between chalcostibite (CuSbS2) and emplectite (CuBiS2)
 Note: synthetic
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              79
_journal_page_last               88
_journal_volume                  61
_journal_year                    1997
_chemical_formula_sum            'Cu S2 Sb'
_chemical_name_mineral           Chalcostibite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.0160
_cell_length_b                   3.7968
_cell_length_c                   14.499
_cell_volume                     331.180
_exptl_crystal_density_diffrn    5.003
_[local]_cod_chemical_formula_sum_orig 'Cu Sb S2'
_cod_database_code               9009503
_amcsd_database_code             AMCSD#0012122
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu 0.74630 0.75000 0.17210 0.02786
Sb 0.22450 0.25000 0.06360 0.00633
S1 0.62400 0.25000 0.09600 0.01267
S2 0.13100 0.75000 0.17870 0.01267